Geometry & MOs

Info

ID:	306758
PubChem CID:	125240942
Reduced:	O3N5C17H23 (1)
Stoich.:	A3B5C17D23 (1)
Weight, g/mol:	345.18009
ΔH_f, kcal/mol:	-71.32
Dipole, Da:	4.4
IP(EA), eV:	-9.06(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,8aS)-5-(cyclopropylcarbamoyl)-2-pyrimidin-2-yl-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxylic acid

Drug info:

PubChemData

Smile

C1C[C@]2(CN(C[C@H]2CN(C1)C(=O)NC3CC3)C4=NC=CC=N4)C(=O)O

DOS

IR

Vibrations