Geometry & MOs

Info

ID:	163280
PubChem CID:	57690043
Reduced:	FO5N6C37H43 (1)
Stoich.:	AB5C6D37E43 (1)
Weight, g/mol:	387.20591
ΔH_f, kcal/mol:	-199.24
Dipole, Da:	5.13
IP(EA), eV:	-8.99(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-5-(2-methylphenyl)pyridin-3-yl]-[6-(1,4-diazepan-1-yl)pyridin-2-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(CC1)CC(=O)NC2CCC(CC2)N3C(=O)C4=C(N=CC(=C4)F)N(C3=O)C5=CC=CC(=C5)C6=C(C=C(C=C6)O)CN7CCOCC7

DOS

IR

Vibrations