Geometry & MOs

Info

ID:	379276
PubChem CID:	134357004
Reduced:	FO3N5C23H24 (1)
Stoich.:	AB3C5D23E24 (1)
Weight, g/mol:	451.201968
ΔH_f, kcal/mol:	-67.4
Dipole, Da:	6.75
IP(EA), eV:	-9.37(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-1-[2-[[5-(5-fluoropyridin-3-yl)pyridin-2-yl]amino]-2-oxoethyl]-6-formyl-N-methyl-2,3,4,5-tetrahydroazepine-7-carboxamide

Drug info:

PubChemData

Smile

CN(C1CC1)C(=O)C2=C(CCCN2CC(=O)NC3=NC=C(C(=C3)F)C4=CN=CC=C4)C=O

DOS

IR

Vibrations