Geometry & MOs

Info

ID:	290696
PubChem CID:	109817133
Reduced:	O3N5C16H23 (1)
Stoich.:	A3B5C16D23 (1)
Weight, g/mol:	375.22704
ΔH_f, kcal/mol:	-15.16
Dipole, Da:	8.24
IP(EA), eV:	-9.42(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[4-(4-nitrophenyl)butyl]-3-(1-propanoylpyrrolidin-3-yl)guanidine

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NC)NCC2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations