Geometry & MOs

Info

ID:	423123
PubChem CID:	135118971
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	304.226312
ΔH_f, kcal/mol:	-89.04
Dipole, Da:	5.1
IP(EA), eV:	-8.62(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclobutyl-[4-[(3-propan-2-ylimidazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C(=O)N1)CCN2C[C@H]([C@@H](C2)O)CC3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations