Geometry & MOs

Info

ID:	171983
PubChem CID:	75449809
Reduced:	ClO3N7C20H24 (1)
Stoich.:	AB3C7D20E24 (1)
Weight, g/mol:	275.126991
ΔH_f, kcal/mol:	-13.46
Dipole, Da:	11.48
IP(EA), eV:	-8.78(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[4-(pent-3-ynylcarbamoylamino)phenyl]carbamate

Drug info:

PubChemData

Smile

CCC(C)(COC1=C(C=CC=N1)Cl)NC(=O)NC2=CC(=C(C=C2)OC)N3C(=NN=N3)C

DOS

IR

Vibrations