Geometry & MOs

Info

ID:	45645
PubChem CID:	10515988
Reduced:	NOC18H21 (1)
Stoich.:	ABC18D21 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	-4.71
Dipole, Da:	2.49
IP(EA), eV:	-8.62(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-imidazol-5-yl)propyl N-[(2R)-heptan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N[C@H]2CCC3=C2C(=CC=C3)OC

DOS

IR

Vibrations