Geometry & MOs

Info

ID:	340179
PubChem CID:	127262188
Reduced:	ClN2O2C21H29 (1)
Stoich.:	AB2C2D21E29 (1)
Weight, g/mol:	299.220892
ΔH_f, kcal/mol:	-85.82
Dipole, Da:	1.87
IP(EA), eV:	-8.82(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R)-4-(1,4-diazepane-1-carbonyl)-2,5-dimethylhexan-2-yl] carbamate

Drug info:

PubChemData

Smile

CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)NC(=O)OCCN(C)C.Cl

DOS

IR

Vibrations