Geometry & MOs

Info

ID:	74514
PubChem CID:	48421983
Reduced:	O2N3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	388.247441
ΔH_f, kcal/mol:	-2.19
Dipole, Da:	2.85
IP(EA), eV:	-8.99(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-oxo-3-phenyl-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC1=CN(N=C1)C2=CC=CC=C2)OCC3CC3

DOS

IR

Vibrations