Geometry & MOs

Info

ID:	447418
PubChem CID:	135282737
Reduced:	O3N7C28H29 (1)
Stoich.:	A3B7C28D29 (1)
Weight, g/mol:	172.999204
ΔH_f, kcal/mol:	13.98
Dipole, Da:	1.95
IP(EA), eV:	-8.52(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloropyrimidin-2-yl)carbamic acid

Drug info:

PubChemData

Smile

CC(=C)CNCCOC(=O)NCC1=CC=C(C=C1)CN2C3=C(C(=NC4=CC=CC=C43)N)N=C2C5=CN=CO5

DOS

IR

Vibrations