Geometry & MOs

Info

ID:	172114
PubChem CID:	75468740
Reduced:	OSN5C14H25 (1)
Stoich.:	ABC5D14E25 (1)
Weight, g/mol:	306.124739
ΔH_f, kcal/mol:	-21.62
Dipole, Da:	3.12
IP(EA), eV:	-8.95(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylethyl)urea

Drug info:

PubChemData

Smile

CCNC(=NCC1=C(N=C(S1)C)C)NCCC(=O)N(C)C

DOS

IR

Vibrations