Geometry & MOs

Info

ID:	344059
PubChem CID:	127267235
Reduced:	FON4C14H21 (1)
Stoich.:	ABC4D14E21 (1)
Weight, g/mol:	292.153541
ΔH_f, kcal/mol:	-76.56
Dipole, Da:	5.69
IP(EA), eV:	-9.03(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(dimethylamino)cyclopropyl]methyl]-3-(2-methyl-3-nitrophenyl)urea

Drug info:

PubChemData

Smile

CC1(CCCN1CCNC(=O)NC2=NC=C(C=C2)F)C

DOS

IR

Vibrations