Geometry & MOs

Info

ID:	415187
PubChem CID:	135088178
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	384.179755
ΔH_f, kcal/mol:	-37.04
Dipole, Da:	4.5
IP(EA), eV:	-8.7(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5R)-7-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]acetic acid

Drug info:

PubChemData

Smile

C1CN(CCC1CC(=O)N2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3)CC4=CC=CC=C4

DOS

IR

Vibrations