Geometry & MOs

Info

ID:	188819
PubChem CID:	77770872
Reduced:	O2N3C12H12 (2)
Stoich.:	A2B3C12D12 (2)
Weight, g/mol:	375.288577
ΔH_f, kcal/mol:	-82.66
Dipole, Da:	8.18
IP(EA), eV:	-8.99(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[1-[2-(4-phenylbutylamino)ethyl]pyrrolidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC(=O)NC(CC(=O)O)C2=CN=CC=C2)NC(=O)NC3=CC=C(C=C3)C(=N)N

DOS

IR

Vibrations